0 B6R1.1 C1=CC=NC=C1 9032AJ [0,0,0,0,0,0|0,0,0]=0 1 B6R1.1 C1=CC=NC=C1 I569 [0,0,0,0,0,0|0,0,0]=0 2 B6R1.1 C1=NN=CN=N1 3034AH [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 BrC1=CC=NC=N1 2731AJ [0,1,0,0,0,0|1,0,0]=2 4 B7R1.3 BrC1=CN=NC=C1 Z1972 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,0,0,0|1,0,1]=3 6 B7R1.3 C[N+]1=CC=CC=C1 1581AB [0,1,0,0,0,0|0,0,1]=2 7 B7R1.3 C[N+]1=CC=CC=C1 K323 [0,1,0,0,0,0|0,0,1]=2 8 B7R1.3 ClC1=NN=CC=C1 X0225 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 FC1=CN=CN=C1 W7798 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 F[N+]1=CC=CC=C1 4861AL [0,1,0,0,0,0|0,0,1]=2 11 B7R1.3 IC1=CN=CN=C1 W5347 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 NC1=CC=CC=C1 7089AL [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 O=C1C=CCCO1 X2978 [0,1,0,0,0,0|1,0,2]=4 14 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,0,0,0|1,0,2]=4 15 B7R1.3 [O-][N+]1=CC=NC=C1 1770AB [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [0,1,0,0,0,0|1,0,0]=2 17 B5R0.2 C=CCN=C=O 4527AD [0,0,1,0,0,0|1,0,2]=4 18 B5R1.1 C1=CSN=C1 Z4550 [0,0,0,0,1,0|1,0,0]=2 19 B5R1.1 C1=NN=CO1 2890AB [0,0,0,0,1,0|2,0,0]=3 20 B5R1.1 C1=NNCC1 5793AL [0,0,0,0,1,0|1,0,2]=4 21 B7R1.24 C1=CC=C[CH+]C=C1 9390AL [0,0,0,0,0,1|1,0,0]=2 22 B4R0.2 N\C=C/C=O 4699AJ [1,0,1,0,0,0|1,0,1]=4 23 B6R0.4 C=CCCC(=C)C 5696AL [0,1,1,0,0,0|1,0,1]=4 24 B6R0.4 C=C\C=C\C(=O)O Z4964 [0,1,1,0,0,0|1,0,0]=3 25 B6R0.6 C=CCC\C=C\C 4658AL [0,1,1,0,0,0|1,0,1]=4 26 B6R0.6 C=CCOCC=C 7030AL [0,1,1,0,0,0|1,0,1]=4 27 B6R1.2 BrC1=CC=NS1 7852AB [0,1,0,0,1,0|1,0,0]=3 28 B6R1.2 BrC1=NSC=C1 Z4879 [0,1,0,0,1,0|1,0,0]=3 29 B6R1.2 CC1=CNN=N1 W5081 [0,1,0,0,1,0|2,0,0]=4 30 B6R1.2 CC1=CON=C1 9884AB [0,1,0,0,1,0|1,0,0]=3 31 B6R1.2 CC1=CSN=N1 Y8051 [0,1,0,0,1,0|2,0,0]=4 32 B6R1.2 CC1=NC=CO1 1470AB [0,1,0,0,1,0|1,0,0]=3 33 B6R1.2 CC1=NOC=C1 Z4582 [0,1,0,0,1,0|1,0,0]=3 34 B6R1.2 CC1=NON=C1 W4957 [0,1,0,0,1,0|2,0,0]=4 35 B6R1.2 ClC1=NC=CS1 W5278 [0,1,0,0,1,0|1,0,0]=3 36 B6R1.2 ClC1=NC=NS1 W5914 [0,1,0,0,1,0|2,0,0]=4 37 B6R1.2 IC1=NN=CS1 Z7518 [0,1,0,0,1,0|2,0,0]=4 38 B6R1.2 NC1=CN=CN1 0957AP [0,1,0,0,1,0|1,0,0]=3 39 B6R1.2 NC1=CN=CN1 5028AA [0,1,0,0,1,0|1,0,0]=3 40 B6R1.2 NC1=CNC=N1 B191 [0,1,0,0,1,0|1,0,0]=3 41 B6R1.2 NC1=CON=C1 X8883 [0,1,0,0,1,0|1,0,0]=3 42 B6R1.2 NC1=CSN=C1 2850AJ [0,1,0,0,1,0|1,0,0]=3 43 B6R1.2 NC1=NN=CO1 0114AP [0,1,0,0,1,0|2,0,0]=4 44 B6R1.2 NN1C=CC=N1 5269AB [0,1,0,0,1,0|1,0,0]=3 45 B6R1.2 O=C1C=CCN1 V5771 [0,1,0,0,1,0|0,0,2]=4 46 B6R1.2 O=C1C=CCS1 1311AQ [0,1,0,0,1,0|1,0,1]=4 47 B6R1.2 OC1=NC=CS1 W8616 [0,1,0,0,1,0|1,0,0]=3 48 B8R1.2 BrCC1=NC=CN=C1 5266AJ [0,2,0,0,0,0|1,0,0]=3 49 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [0,2,0,0,0,0|1,0,0]=3 50 B8R1.2 C=CC1=NC=CN=C1 R581 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,2,0,0,0,0|0,0,1]=3 52 B8R1.2 CNC1=CN=CN=C1 5460AB [0,2,0,0,0,0|1,0,0]=3 53 B8R1.2 CNC1=NN=CC=N1 4345AJ [0,2,0,0,0,0|2,0,0]=4 54 B8R1.2 COC1=CC=NN=C1 Z5489 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,2,0,0,0,0|1,0,0]=3 56 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,2,0,0,0,0|1,0,0]=3 57 B8R1.2 FCC1=CC=NC=C1 2557AL [0,2,0,0,0,0|0,0,0]=2 58 B8R1.2 N#CC1=CC=NN=C1 X2036 [0,2,0,0,0,0|1,0,0]=3 59 B8R1.2 NCC1=CC=CC=C1 7149AL [0,2,0,0,0,0|1,0,0]=3 60 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,2,0,0,0,0|0,0,0]=2 61 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,2,0,0,0,0|1,0,0]=3 62 B8R1.2 NCC1=CC=NN=C1 X9904 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.2 NCC1=CN=NC=C1 0175AP [0,2,0,0,0,0|1,0,0]=3 64 B8R1.2 NCC1=NC=NC=C1 9281AB [0,2,0,0,0,0|1,0,0]=3 65 B8R1.2 NCC1=NN=CC=C1 5795AC [0,2,0,0,0,0|1,0,0]=3 66 B8R1.2 NNC1=CC=NC=C1 0864AQ [0,2,0,0,0,0|0,0,0]=2 67 B8R1.2 NNC1=NN=CC=C1 5599AB [0,2,0,0,0,0|1,0,0]=3 68 B8R1.2 NNC1=NN=CC=C1 X0228 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.2 O=CC1=CN=NC=C1 7044AB [0,2,0,0,0,0|1,0,0]=3 70 B8R1.2 O=CC1=NC=CC=N1 Y3220 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.2 O=CC1=NC=CN=C1 X7048 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.2 OCC1=CC=NC=N1 W5525 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.2 OCC1=CN=NC=C1 7045AB [0,2,0,0,0,0|1,0,0]=3 74 B8R1.2 OCC1=NC=CN=C1 W7769 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.2 OCC1=NN=CC=C1 W5830 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,2,0,0,0,0|0,0,0]=2 77 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.3 CC1=CN=C(C)N=C1 1431AB [0,2,0,0,0,0|1,0,0]=3 79 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.3 CC1=NN=C(C)C=C1 X3917 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.3 FC1=NC=C(I)C=N1 0786AC [0,2,0,0,0,0|1,0,0]=3 82 B8R1.3 NC1=CN=C(Br)N=C1 W7027 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.3 NC1=CN=C(N)C=C1 X9372 [0,2,0,0,0,0|0,0,0]=2 84 B8R1.3 NC1=NC=C(O)C=C1 V8126 [0,2,0,0,0,0|0,0,0]=2 85 B8R1.3 NC1=NC=C(O)C=C1 X4178 [0,2,0,0,0,0|0,0,0]=2 86 B8R1.3 NC1=NNC(=O)C=C1 0249AA [0,2,0,0,0,0|1,0,0]=3 87 B8R1.3 S=C1N=CC(Cl)=CN1 0391AQ [0,2,0,0,0,0|1,0,0]=3 88 B8R1.3 SC1=NN=C(Cl)C=C1 2350AE [0,2,0,0,0,0|1,0,0]=3 89 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [0,2,0,0,0,0|1,0,0]=3 90 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.4 CC1=CC(Cl)=NN=C1 W9219 [0,2,0,0,0,0|1,0,0]=3 92 B8R1.4 CC1=CC(I)=NC=C1 1274AB [0,2,0,0,0,0|0,0,0]=2 93 B8R1.4 CC1=CC(N)=CC=C1 5136AF [0,2,0,0,0,0|1,0,0]=3 94 B8R1.4 CC1=CC(N)=NN=C1 7108AA [0,2,0,0,0,0|1,0,0]=3 95 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,2,0,0,0,0|0,0,0]=2 96 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,2,0,0,0,0|0,0,0]=2 97 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,2,0,0,0,0|1,0,1]=4 98 B8R1.4 ClC1=CC(I)=CN=C1 2091AC [0,2,0,0,0,0|0,0,0]=2 99 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [0,2,0,0,0,0|0,0,0]=2 100 B8R1.4 ClC1=NC(Br)=NC=C1 4405AC [0,2,0,0,0,0|1,0,0]=3 101 B8R1.4 FC1=CC(Cl)=NC=N1 7159AB [0,2,0,0,0,0|1,0,0]=3 102 B8R1.4 IC1=CN=CC(I)=C1 7672AB [0,2,0,0,0,0|0,0,0]=2 103 B8R1.4 NC1=CC(=O)NN=C1 W9199 [0,2,0,0,0,0|1,0,0]=3 104 B8R1.4 NC1=CC(Br)=CC=C1 J70044 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [0,2,0,0,0,0|0,0,0]=2 106 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [0,2,0,0,0,0|0,0,0]=2 107 B8R1.4 NC1=CC(I)=CN=C1 8472AD [0,2,0,0,0,0|0,0,0]=2 108 B8R1.4 NC1=CC(I)=NC=N1 W6793 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.4 NC1=CC=CC(F)=C1 W4217 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.4 NC1=CC=CC(N)=N1 7294AA [0,2,0,0,0,0|0,0,0]=2 111 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,2,0,0,0,0|1,0,0]=3 112 B8R1.4 NC1=CC=NC(F)=N1 2081AL [0,2,0,0,0,0|1,0,0]=3 113 B8R1.4 NC1=CN=CC(F)=N1 3111AD [0,2,0,0,0,0|1,0,0]=3 114 B8R1.4 NC1=CN=CC(N)=N1 W6186 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.4 NC1=NC(=O)NN=C1 3530AF [0,2,0,0,0,0|2,0,0]=4 116 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [0,2,0,0,0,0|0,0,0]=2 117 B8R1.4 NC1=NC=NC(S)=N1 1686AE [0,2,0,0,0,0|2,0,0]=4 118 B8R1.4 NC1=NN=CC(Cl)=C1 Y1523 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,2,0,0,0,0|0,0,0]=2 120 B8R1.4 OC1=NC=CC(S)=N1 Z2909 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.4 SC1=CC=CC(S)=C1 4506AL [0,2,0,0,0,0|1,0,0]=3 122 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [0,2,0,0,0,0|0,0,0]=2 123 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [0,2,0,0,0,0|1,0,0]=3 124 B8R1.5 CC1=C(I)C=NC=N1 W9510 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.5 CC1=C(N)N=CC=C1 3663AB [0,2,0,0,0,0|0,0,0]=2 126 B8R1.5 CC1=CC=CC=C1O Z3651 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.5 CC1=CC=NN=C1Cl V2362 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.5 CC1=CC=NN=C1N V8933 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.5 CC1=CN=CN=C1Cl 2777AJ [0,2,0,0,0,0|1,0,0]=3 130 B8R1.5 CC1=NC=CC=C1I 7575AA [0,2,0,0,0,0|0,0,0]=2 131 B8R1.5 CC1=NC=NC=C1N B201 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.5 CC1=NN=CN=C1O 5164AD [0,2,0,0,0,0|2,0,0]=4 133 B8R1.5 ClC1=C(Cl)C=NC=C1 5074AD [0,2,0,0,0,0|0,0,0]=2 134 B8R1.5 ClC1=C(Cl)C=NN=C1 Y3243 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.5 ClC1=CC=CN=C1I W8392 [0,2,0,0,0,0|0,0,0]=2 136 B8R1.5 ClC1=CC=NN=C1Cl W3654 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.5 FC1=C(F)C=NC=C1 2808AC [0,2,0,0,0,0|0,0,0]=2 138 B8R1.5 FC1=NC=CN=C1F 4974AE [0,2,0,0,0,0|1,0,0]=3 139 B8R1.5 IC1=C(I)N=CC=C1 0321AF [0,2,0,0,0,0|0,0,0]=2 140 B8R1.5 NC1=CC=CN=C1Br 1627AJ [0,2,0,0,0,0|0,0,0]=2 141 B8R1.5 NC1=CC=CN=C1F 1722AJ [0,2,0,0,0,0|0,0,0]=2 142 B8R1.5 NC1=CC=NN=C1Cl W6981 [0,2,0,0,0,0|1,0,0]=3 143 B8R1.5 NC1=CC=NN=C1N 9138AB [0,2,0,0,0,0|1,0,0]=3 144 B8R1.5 NC1=CC=NNC1=O 8057AB [0,2,0,0,0,0|1,0,0]=3 145 B8R1.5 NC1=CN=CN=C1O 5791AH [0,2,0,0,0,0|1,0,0]=3 146 B8R1.5 NC1=CN=NC=C1Cl 7539AB [0,2,0,0,0,0|1,0,0]=3 147 B8R1.5 NC1=CN=NC=C1N 2824AB [0,2,0,0,0,0|1,0,0]=3 148 B8R1.5 NC1=NC=NC=C1O 7434AB [0,2,0,0,0,0|1,0,0]=3 149 B8R1.5 O=C1OC=CC=C1O W6519 [0,2,0,0,0,0|1,0,0]=3 150 B8R1.5 OC1=C(Cl)C=NN=C1 Y3271 [0,2,0,0,0,0|1,0,0]=3 151 B8R1.5 OC1=C(O)C=NC=C1 Y6808 [0,2,0,0,0,0|0,0,0]=2 152 B8R1.5 OC1=NC=CN=C1O Y4736 [0,2,0,0,0,0|1,0,0]=3 153 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 Z4162 [0,2,0,0,0,0|0,0,1]=3 154 B8R1.49 C1=CC=CC=CC=C1 7522AL [0,0,0,0,0,2|1,0,0]=3 155 B8R1.49 C1=CCCC=CCC1 3668AB [0,0,0,0,0,2|1,0,1]=4 156 B8R1.49 C1=CCCC=CCC1 4303AA [0,0,0,0,0,2|1,0,1]=4 157 B8R1.49 C1=CCCC=CCC1 4331AB [0,0,0,0,0,2|1,0,1]=4 158 B8R1.49 C1=CCCC=CCC1 9494AB [0,0,0,0,0,2|1,0,1]=4 159 B8R1.49 C1=CCCC=CCC1 E814 [0,0,0,0,0,2|1,0,1]=4 160 B8R1.49 C1=CCCC=CCC1 G766 [0,0,0,0,0,2|1,0,1]=4 161 B8R1.49 C1=CCCC=CCC1 G780 [0,0,0,0,0,2|1,0,1]=4 162 B8R1.49 C1=CCCC=CCC1 J92903 [0,0,0,0,0,2|1,0,1]=4 163 B8R1.49 C1=CCCC=CCC1 K782 [0,0,0,0,0,2|1,0,1]=4 164 B8R1.49 C1=CCCC=CCC1 X4617 [0,0,0,0,0,2|1,0,1]=4 165 B8R1.49 C1=CCCC=CCC1 X4908 [0,0,0,0,0,2|1,0,1]=4 166 B8R1.49 C1=CCCCCC=C1 7920AF [0,0,0,0,0,2|1,0,1]=4